过电位
析氧
密度泛函理论
钌
电化学
催化作用
氧气
化学物理
化学
异质结
材料科学
电子结构
格子(音乐)
电极
电催化剂
无机化学
联轴节(管道)
轨道杂交
纳米技术
电极电位
电化学电位
物理化学
多相催化
结晶学
晶体结构
工作(物理)
作者
Tongzhou Wang,Shoujian Duan,Junyu Pan,Jihong Li,Li Shao,Lei Shi,Yuhan Sun,Jingming Ran,Huaiyu Shao,Yida Deng
摘要
Abstract Ruthenium dioxide (RuO 2 ) is highly active for acidic oxygen evolution reaction (OER) but suffers from instability due to lattice oxygen oxidation. Herein, we construct a RuO 2 /WO 3 heterostructure that leverages strong Ru–O–W interfacial bridge bonding to fundamentally modulate electronic structure and reaction pathways. Density functional theory calculations reveal pronounced orbital hybridization at the interface, resulting in a simultaneous downshift of the Ru d‐band and O p‐band centers. This modulation weakens the Ru–O* interaction while strengthening the Ru–O bonds, effectively suppressing the lattice oxygen mechanism. Benefiting from this electronic structure regulation strategy, the RuO 2 /WO 3 electrode delivers a substantially low overpotential of 203 mV at 10 mA cm −2 and maintains exceptional structural and electrochemical integrity over 200 h of continuous acidic OER operation. This work unveils a new paradigm of orbital‐level interface engineering for stabilizing noble‐metal catalysts under harsh acidic conditions.
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